CID 3573207

2-[(4-butyl-5-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]-n-(3,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C20H20F2N4OS
SMILES
CCCCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=C3
InChI
InChI=1S/C20H20F2N4OS/c1-2-3-11-26-19(14-7-5-4-6-8-14)24-25-20(26)28-13-18(27)23-15-9-10-16(21)17(22)12-15/h4-10,12H,2-3,11,13H2,1H3,(H,23,27)
InChIKey
TVFJCKYELKXOCY-UHFFFAOYSA-N
Compound name
2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1326 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13988 193.1
[M+Na]+ 425.12182 204.4
[M+NH4]+ 420.16642 198.0
[M+K]+ 441.09576 196.8
[M-H]- 401.12532 194.7
[M+Na-2H]- 423.10727 199.4
[M]+ 402.13205 195.3
[M]- 402.13315 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.